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Shawn T. Brown, Ph.D. - Publications

Affiliations: 
2001 University of Georgia, Athens, Athens, GA, United States 
Area:
Computational Chemistry
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12 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Shao Y, Gan Z, Epifanovsky E, Gilbert ATB, Wormit M, Kussmann J, Lange AW, Behn A, Deng J, Feng X, Ghosh D, Goldey M, Horn PR, Jacobson LD, Kaliman I, ... ... Brown ST, et al. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215. DOI: 10.1080/00268976.2014.952696  0.326
2010 Pereyra F, Jia X, McLaren PJ, Telenti A, de Bakker PI, Walker BD, Ripke S, Brumme CJ, Pulit SL, Carrington M, Kadie CM, Carlson JM, Heckerman D, Graham RR, ... ... Brown SJ, ... ... Brown ST, et al. The major genetic determinants of HIV-1 control affect HLA class I peptide presentation. Science (New York, N.Y.). 330: 1551-7. PMID 21051598 DOI: 10.1126/Science.1195271  0.419
2007 Crawford TD, Sherrill CD, Valeev EF, Fermann JT, King RA, Leininger ML, Brown ST, Janssen CL, Seidl ET, Kenny JP, Allen WD. PSI3: an open-source Ab Initio electronic structure package. Journal of Computational Chemistry. 28: 1610-6. PMID 17420978 DOI: 10.1002/Jcc.20573  0.567
2006 Shao Y, Molnar LF, Jung Y, Kussmann J, Ochsenfeld C, Brown ST, Gilbert AT, Slipchenko LV, Levchenko SV, O'Neill DP, DiStasio RA, Lochan RC, Wang T, Beran GJ, Besley NA, et al. Advances in methods and algorithms in a modern quantum chemistry program package. Physical Chemistry Chemical Physics : Pccp. 8: 3172-91. PMID 16902710 DOI: 10.1039/B517914A  0.493
2000 Petraco NDK, Brown ST, Yamaguchi Y, Schaefer HF. The silaketenylidene (SiCO) molecule: Characterization of the X̃ 3Σ− and à 3Π states Journal of Chemical Physics. 112: 3201-3207. DOI: 10.1063/1.481593  0.374
2000 Yamaguchi Y, Petraco NDK, Brown ST, Schaefer HF. The 1-silaketenyl radical (HSiCO): Ground and first excited electronic states Journal of Chemical Physics. 112: 2168-2175. DOI: 10.1063/1.481591  0.362
2000 Brown ST, Yamaguchi aY, Schaefer HF. X̃ 3Σ- and à 3Π Electronic States of Ketenylidene (CCO): Analysis of the Renner Effect in the Upper State† Journal of Physical Chemistry A. 104: 3603-3612. DOI: 10.1021/Jp9937712  0.377
2000 Petraco NDK, Brown ST, Yamaguchi aY, Schaefer HF. The 2-Silaketenylidene (CSiO) Radical: Electronic Structure of the X̃ 3Σ- and à 3Π States† Journal of Physical Chemistry A. 104: 10165-10172. DOI: 10.1021/Jp001080W  0.369
2000 Yamaguchi Y, Brown ST, Petraco NDK, Schaefer HF. The 2-silaketenyl radical (HCSiO): Ground and first excited electronic states Journal of Molecular Structure. 556: 293-302. DOI: 10.1016/S0022-2860(00)00647-5  0.345
1999 Brown ST, Huis TJV, Hoffman BC, Schaefer HF. Excited Electronic States Of Carbon Disulphide Molecular Physics. 96: 693-704. DOI: 10.1080/00268979909483005  0.33
1999 Brown ST, Yamaguchi Y, Schaefer HF. The Disilaketenyl Radical (Hsisio) In Its Ground And First Excited Electronic States Journal of Chemical Physics. 111: 227-234. DOI: 10.1063/1.479286  0.391
1999 Brown ST, Rienstra-Kiracofe JC, Schaefer HF. A systematic application of density functional theory to some carbon-containing molecules and their anions Journal of Physical Chemistry A. 103: 4065-4077. DOI: 10.1021/Jp984354C  0.561
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